smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c(C)ccc1OCC(=O)NCc1c[nH]c(=O)[nH]c1=O ZINC000217398064 395838706 /nfs/dbraw/zinc/83/87/06/395838706.db2.gz JFCWXFZGBYLLBG-UHFFFAOYSA-N -1 2 318.333 0.024 50 70 DCIALM